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GLASS

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GPCR

Name	Alpha-2A adrenergic receptor
Species	Homo sapiens (Human)
Gene	ADRA2A
Synonym	alpha2D alpha2A-AR alpha2A-adrenoceptor alpha2A-adrenergic receptor alpha2A Alpha-2AAR Adra-2 Adra-2a ADRA2 ADRA2R Adrenergic alpha 2A receptor adrenergic receptor Alpha-2 adrenergic receptor subtype C10 Alpha-2A adrenoceptor Alpha-2A adrenoreceptor [ Show all ]
Disease	Attention deficit hyperactivity disorder Sexual dysfunction Pain
Length	450
Amino acid sequence	MGSLQPDAGNASWNGTEAPGGGARATPYSLQVTLTLVCLAGLLMLLTVFGNVLVIIAVFTSRALKAPQNLFLVSLASADILVATLVIPFSLANEVMGYWYFGKAWCEIYLALDVLFCTSSIVHLCAISLDRYWSITQAIEYNLKRTPRRIKAIIITVWVISAVISFPPLISIEKKGGGGGPQPAEPRCEINDQKWYVISSCIGSFFAPCLIMILVYVRIYQIAKRRTRVPPSRRGPDAVAAPPGGTERRPNGLGPERSAGPGGAEAEPLPTQLNGAPGEPAPAGPRDTDALDLEESSSSDHAERPPGPRRPERGPRGKGKARASQVKPGDSLPRRGPGATGIGTPAAGPGEERVGAAKASRWRGRQNREKRFTFVLAVVIGVFVVCWFPFFFTYTLTAVGCSVPRTLFKFFFWFGYCNSSLNPVIYTIFNHDFRRAFKKILCRGDRKRIV
UniProt	P08913
Protein Data Bank	N/A
GPCR-HGmod model	P08913
3D structure model	This predicted structure model is from GPCR-EXP P08913.
BioLiP	N/A
Therapeutic Target Database	T11448
ChEMBL	CHEMBL1867
IUPHAR	25
DrugBank	BE0000289

Ligand

Name	Pentiapine
Molecular formula	C15H17N5S
IUPAC name	5-(4-methylpiperazin-1-yl)imidazo[2,1-b][1,3,5]benzothiadiazepine
Molecular weight	299.396
Hydrogen bond acceptor	4
Hydrogen bond donor	0
XlogP	3.5
Synonyms	5-(4-methylpiperazin-1-yl)imidazo[2,1-b][1,3,5]benzothiadiazepine CAS_81382-52-7 PDSP1_001664 81382-51-6 CHEMBL2105337 PENTIAPINE MALEATE AC1Q4UZO FACMWMBWGSPRKO-UHFFFAOYSA-N SCHEMBL10982884 5-(4-methylpiperazino)-imidazo[2,1-b][1,3,5]benzothiadiazepine CGS-10746B PDSP2_001648 CS-0018131 Pentiapine [INN] BDBM81802 HY-100143 UNII-RAP39VD6P5 5-(4-methylpiperazino]-imidazo[2,1-b][1,3,5]benzothiadiazepine CGS10746B AC1L1HNO DTXSID60231075 RAP39VD6P5 [ Show all ]
Inchi Key	FACMWMBWGSPRKO-UHFFFAOYSA-N
Inchi ID	InChI=1S/C15H17N5S/c1-18-8-10-19(11-9-18)14-17-12-4-2-3-5-13(12)21-15-16-6-7-20(14)15/h2-7H,8-11H2,1H3
PubChem CID	54742
ChEMBL	N/A
IUPHAR	N/A
BindingDB	81802
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
Ki	3600.0 nM	PMID1656026	BindingDB

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